⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL779966 | 0.90 | TK1 (0.34) | — | |
| SCHEMBL779398 | 0.84 | — | — | |
| SCHEMBL9222133 | 0.76 | HSP90AA1 (0.35) | — | |
| SCHEMBL780214 | 0.76 | TYMP (0.43) | — | |
| SCHEMBL780954 | 0.74 | — | — | |
| SCHEMBL781648 | 0.71 | — | — | |
| SCHEMBL779508 | 0.69 | P2RY6 (0.35) | — | |
| SCHEMBL780047 | 0.67 | TK1 (0.49) | — | |
| SCHEMBL741984 | 0.66 | POLB (0.47) | — | |
| SCHEMBL1879768 | 0.65 | BCHE (0.45) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809357-B2 | Compounds and derivatizations of DNAs and RNAs on the nucleobases of pyrimidines for function, structure and therapeutics | HUANG, ZHEN, DR. | 2014-08-19 | — | — | US | disclosed |
| US-20120070825-A1 | Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics | SENA RESEARCH, INC. (US) | 2012-03-22 | — | — | US | disclosed |